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SCHEMBL7569355

SCHEMBL7569355

COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)c(Oc2ccccc2OC)c(OCCO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 9/20 0.62
▸ EDNRB P24530 3/20 0.57
▸ CYP2C9 P11712 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TCF4 P15884 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ ABCC3 O15438 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ DHPS P49366 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7573324 0.93 EDNRA (0.62) EDNRAEDNRBCYP2C9ALDH1A1TCF4
SCHEMBL7566642 0.93 EDNRA (0.62) EDNRAEDNRBCYP2C9ALDH1A1ABCC3
SCHEMBL7567459 0.90 EDNRA (0.77) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7568031 0.90 EDNRB (0.65) EDNRAEDNRBCYP2C9ALDH1A1TSHR
SCHEMBL7567577 0.89 EDNRB (0.68) EDNRAEDNRBCYP2C9ALDH1A1TSHR
SCHEMBL7573361 0.87 EDNRB (0.53) EDNRAEDNRBCYP2C9ALDH1A1TSHR
SCHEMBL7567961 0.85 EDNRA (0.55) EDNRAEDNRBCYP2C9ALDH1A1TSHR
SCHEMBL7568220 0.85 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7567566 0.85 EDNRA (0.54) EDNRAEDNRBALDH1A1TSHRLMNA
SCHEMBL7575392 0.84 EDNRA (0.58) EDNRAEDNRBCYP2C9POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 — — EP claimed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 — — US claimed
JP-2930731-B2 — — 1999-08-03 — — JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 — — EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 — — WO claimed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 — — EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 — — WO disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 — — US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 — — US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 — — EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 — — WO disclosed